N-methyl-4-oxidanylidene-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide

Systemtic Name: N-methyl-4-oxidanylidene-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide Openeye Name: N-methyl-4-oxo-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide CAS Name: N-methyl-4-oxo-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide IUPAC Name: N-methyl-4-oxo-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide Traditional Name: 4-keto-N-methyl-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide Formula: C12H14N3O2S+ MolecularWeight: 264.32346

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CNC2=[N+](C1=O)C3=C(S2)CCCC3

Isomeric SMILES

CNC(=O)C1=CNC2=[N+](C1=O)C3=C(S2)CCCC3

InChI

InChI=1S/C12H13N3O2S/c1-13-10(16)7-6-14-12-15(11(7)17)8-4-2-3-5-9(8)18-12/h6H,2-5H2,1H3,(H,13,16)/p+1